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PROTAC CDK2/4/6 Degrader-2

CAT: 0013-GTR19277128-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277128-01Size:50 mg
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Description
PROTACCDK2/4/6 Degrader-2 is a PROTAC degrader specifically targeting CDK2/4/6. It can react in a single step with pivaloyl chloride to convert into the prodrug PROTACCDK2/4/6 Degrader-1. In malignant melanoma cells, this compound effectively degrades CDK2/4/6 proteins and their complexes, leading to cell cycle arrest and apoptosis, with a pronounced effect on melanoma cells. PROTACCDK2/4/6 Degrader-2 is valuable for related malignant melanoma research.
CAS Number
2541626-49-5
Smiles
O=C (NCCCCCCNC1=CC=CC=2C (=O) N (C (=O) C12) C3C (=O) NC (=O) CC3) C4=CC=C (C=C4) NC=5N=CC=6C=C (C (=O) N (C) C) N (C6N5) C7CCCC7
Molecular Formula
C40H45N9O6
Molecular Weight
747.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CAS Number2541626-49-5
PubChem CID162663141
IUPAC Name7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC40H45N9O6
Molecular Weight747.8
XLogP4.6
Topological Polar Surface Area188
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity1430
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C40H45N9O6/c1-47(2)38(54)31-22-25-23-43-40(46-34(25)48(31)27-10-5-6-11-27)44-26-16-14-24(15-17-26)35(51)42-21-8-4-3-7-20-41-29-13-9-12-28-33(29)39(55)49(37(28)53)30-18-19-32(50)45-36(30)52/h9,12-17,22-23,27,30,41H,3-8,10-11,18-21H2,1-2H3,(H,42,51)(H,43,44,46)(H,45,50,52)
InChIKey
FXBLKBBIMNXIPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CAS: 2541626-49-5
CID: 162663141
Formula: C40H45N9O6
MW: 747.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight747.8
XLogP34.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass747.34928019
Monoisotopic Mass747.34928019
Topological Polar Surface Area188 Ų
Heavy Atom Count55
Formal Charge0
Complexity1430
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-179688PROTAC CDK2/4 Degrader-1
T200558-01PROTAC CDK2 Degrader-1
IWD64124-01PROTAC CDK2/9 Degrader-1
T89231-01PROTAC SMARCA2/4-degrader-6
A23924-50PROTAC CDK2/9 Degrader-1 50mg
A23924-5PROTAC CDK2/9 Degrader-1 5mg
A23924-10PROTAC CDK2/9 Degrader-1 10mg
A23924-1PROTAC CDK2/9 Degrader-1 1mg
T200532-01PROTAC SMARCA2/4-degrader-2
HY-111870-01PROTAC RIPK degrader-6

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